Material Modeling: Case Studies Demonstrating Scientific Impact in Materials R&D

This talk introduces Simune's value proposition: solving critical R&D challenges (such as the complexity of predictive materials modeling and the lack of internal expertise) through a dual offering of software and services. We will briefly introduce our software portfolio, including our in-house developed, versatile ASAP (Atomistic Simulation Advanced Platform) platform, designed for general material modelling use and teaching, and the complementary third-party tools J-OCTA (for multiscale modeling) and Gaussian (for high-accuracy molecular properties calculation).   We will devote our time to a scientific demonstration of how these methods yield results, highlighting the direct impact of our material modelling approach through real-world industrial and research case studies.